2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide

C17H26FNO2 — CID 174633476

IUPAC2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
SMILESCCCCCCc1cccc(C(O)CCNC(=O)CF)c1
InChIInChI=1S/C17H26FNO2/c1-2-3-4-5-7-14-8-6-9-15(12-14)16(20)10-11-19-17(21)13-18/h6,8-9,12,16,20H,2-5,7,10-11,13H2,1H3,(H,19,21)
InChIKeyBJCFVFZLAHHVSO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.32
Rot. Bonds10

About 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide

2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide (PubChem CID 174633476) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
PubChem CID174633476
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
SMILESCCCCCCc1cccc(C(O)CCNC(=O)CF)c1
InChIInChI=1S/C17H26FNO2/c1-2-3-4-5-7-14-8-6-9-15(12-14)16(20)10-11-19-17(21)13-18/h6,8-9,12,16,20H,2-5,7,10-11,13H2,1H3,(H,19,21)
InChIKeyBJCFVFZLAHHVSO-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-butylphenyl)butan-1-ol
CID 158563510
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
1-decan-2-yl-3-octylbenzene
CID 173491759
1-(3-nonylphenyl)butane-1-sulfonic acid
CID 22156432
N-[(3R)-3-(3-butylsulfonylphenyl)-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 87519043
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
1,3-di(tetradecyl)benzene
CID 91053224
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
2-fluoroacetic acid;nonylbenzene
CID 162096715
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
methyl 6-(3-octan-4-ylphenyl)hexanoate
CID 143689376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide?
The IUPAC name of 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide (CID 174633476) is 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide?
The canonical SMILES for 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide is CCCCCCc1cccc(C(O)CCNC(=O)CF)c1.
What is the InChIKey of 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide?
The InChIKey is BJCFVFZLAHHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-2-3-4-5-7-14-8-6-9-15(12-14)16(20)10-11-19-17(21)13-18/h6,8-9,12,16,20H,2-5,7,10-11,13H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide?
2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide has a molecular weight of 295.40 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 174633476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).